4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine

C12H18BrNO — CID 82825483

IUPAC4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
SMILESCNCCCCOCc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-14-8-4-5-9-15-10-11-6-2-3-7-12(11)13/h2-3,6-7,14H,4-5,8-10H2,1H3
InChIKeyYZWAQGWXVWECDN-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.97
Rot. Bonds7

About 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine

4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine (PubChem CID 82825483) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
PubChem CID82825483
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
SMILESCNCCCCOCc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-14-8-4-5-9-15-10-11-6-2-3-7-12(11)13/h2-3,6-7,14H,4-5,8-10H2,1H3
InChIKeyYZWAQGWXVWECDN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride
CID 82827249
6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride
CID 82826539
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]methanamine
CID 82805144
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine (CID 82825483) is 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine is CNCCCCOCc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine?
The InChIKey is YZWAQGWXVWECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-14-8-4-5-9-15-10-11-6-2-3-7-12(11)13/h2-3,6-7,14H,4-5,8-10H2,1H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine?
4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 82825483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).